Geometry & MOs

Info

ID:	385177
PubChem CID:	134978454
Reduced:	SiO4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	3.97
IP(EA), eV:	-8.84(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)-5-oxo-2-piperidin-1-ylcyclopenta-1,3-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@]12C=C(C=C(C13CO3)[C@@H](C#C/C=C\C#C2)O)OC

DOS

IR

Vibrations